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6KX6
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BU of 6kx6 by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with KL101 compound
Descriptor: Cryptochrome-1, ~{N}-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-dimethyl-benzamide
Authors:Miller, S.A, Aikawa, Y, Hirota, T.
Deposit date:2019-09-10
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6KX4
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BU of 6kx4 by Molmil
Crystal structure of mouse Cryptochrome 1 apo form
Descriptor: Cryptochrome-1
Authors:Miller, S.A, Aikawa, Y, Hirota, T.
Deposit date:2019-09-10
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Isoform-selective regulation of mammalian cryptochromes.
Nat.Chem.Biol., 16, 2020
6IJY
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BU of 6ijy by Molmil
Crystal structure of human MTH1(G2K/C87A/C104S mutant) in complex with 8-oxo-dGTP determined using a crystal obtained under microgravity
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Nakamura, T, Yamagata, Y.
Deposit date:2018-10-12
Release date:2019-02-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:X-ray Structure Analysis of Human Oxidized Nucleotide Hydrolase MTH1 using Crystals Obtained under Microgravity.
Int. J. Microgravity Sci. Appl., 36, 2019
7ECD
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BU of 7ecd by Molmil
Crystal structure of Tam41 from Firmicutes bacterium, complex with CTP-Mg
Descriptor: BROMIDE ION, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kimura, K, Kawai, F, Kubota-Kawai, H, Watanabe, Y, Tamura, Y.
Deposit date:2021-03-12
Release date:2022-01-19
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Tam41 cytidine diphosphate diacylglycerol synthase from a Firmicutes bacterium.
J.Biochem., 171, 2022
4XUI
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BU of 4xui by Molmil
Crystal structure analysis of cruzain bound to the no-covalent analog of WRR-483 (WRR-669)
Descriptor: 1,2-ETHANEDIOL, Cruzipain, N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
Authors:Tochowicz, A, McKerrow, J.H.
Deposit date:2015-01-26
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.508 Å)
Cite:Synthesis and Evaluation of Oxyguanidine Analogues of the Cysteine Protease Inhibitor WRR-483 against Cruzain.
Acs Med.Chem.Lett., 7, 2016
3WO7
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BU of 3wo7 by Molmil
Crystal structure of YidC from Bacillus halodurans (form II)
Descriptor: COPPER (II) ION, Membrane protein insertase YidC 2
Authors:Kumazaki, K, Tsukazaki, T, Ishitani, R, Nureki, O.
Deposit date:2013-12-20
Release date:2014-04-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:Structural basis of Sec-independent membrane protein insertion by YidC.
Nature, 509, 2014
3WO6
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BU of 3wo6 by Molmil
Crystal structure of YidC from Bacillus halodurans (form I)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CADMIUM ION, Membrane protein insertase YidC 2
Authors:Kumazaki, K, Tsukazaki, T, Ishitani, R, Nureki, O.
Deposit date:2013-12-20
Release date:2014-04-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Structural basis of Sec-independent membrane protein insertion by YidC.
Nature, 509, 2014
7V3D
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BU of 7v3d by Molmil
Complex structure of serine hydroxymethyltransferase from Enterococcus faecium and its inhibitor
Descriptor: (4R)-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1H-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Hayashi, H, Murayama, K.
Deposit date:2021-08-10
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Serine hydroxymethyltransferase as a potential target of antibacterial agents acting synergistically with one-carbon metabolism-related inhibitors.
Commun Biol, 5, 2022
6IU9
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BU of 6iu9 by Molmil
Crystal structure of cytoplasmic metal binding domain with iron ions
Descriptor: FE (II) ION, VIT1, ZINC ION
Authors:Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O.
Deposit date:2018-11-27
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
6IU5
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BU of 6iu5 by Molmil
Crystal structure of cytoplasmic metal binding domain with zinc ions
Descriptor: CHLORIDE ION, VIT1, ZINC ION
Authors:Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O.
Deposit date:2018-11-27
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
6IU4
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BU of 6iu4 by Molmil
Crystal structure of iron transporter VIT1 with cobalt ion
Descriptor: COBALT (II) ION, VIT1, ZINC ION
Authors:Kato, T, Nishizawa, T, Yamashita, K, Taniguchi, R, Kumazaki, K, Ishitani, R, Nureki, O.
Deposit date:2018-11-27
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
6IU8
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BU of 6iu8 by Molmil
Crystal structure of cytoplasmic metal binding domain with cobalt ions
Descriptor: COBALT (II) ION, VIT1, ZINC ION
Authors:Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O.
Deposit date:2018-11-27
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
7X5N
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BU of 7x5n by Molmil
Crystal structure of E. faecium SHMT in complex with (+)-SHIN-1 and PLP-Ser
Descriptor: (4R)-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1H-pyrano[2,3-c]pyrazole-5-carbonitrile, Serine hydroxymethyltransferase, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
Authors:Hasegawa, K, Hayashi, H.
Deposit date:2022-03-05
Release date:2022-07-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Serine hydroxymethyltransferase as a potential target of antibacterial agents acting synergistically with one-carbon metabolism-related inhibitors.
Commun Biol, 5, 2022
6IU3
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BU of 6iu3 by Molmil
Crystal structure of iron transporter VIT1 with zinc ions
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, VIT1, ZINC ION
Authors:Kato, T, Nishizawa, T, Yamashita, K, Taniguchi, R, Kumazaki, K, Ishitani, R, Nureki, O.
Deposit date:2018-11-27
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
7X5O
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BU of 7x5o by Molmil
Crystal structure of E. faecium SHMT in complex with Me-THF and PLP-Gly
Descriptor: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, Serine hydroxymethyltransferase
Authors:Hasegawa, K, Hayashi, H.
Deposit date:2022-03-05
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Serine hydroxymethyltransferase as a potential target of antibacterial agents acting synergistically with one-carbon metabolism-related inhibitors.
Commun Biol, 5, 2022
6IU6
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BU of 6iu6 by Molmil
Crystal structure of cytoplasmic metal binding domain with nickel ions
Descriptor: NICKEL (II) ION, VIT1, ZINC ION
Authors:Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O.
Deposit date:2018-11-27
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
6IVX
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BU of 6ivx by Molmil
Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
Descriptor: (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2
Authors:Noguchi, M, Nomura, A, Doi, S, Adachi, T.
Deposit date:2018-12-04
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
J. Med. Chem., 62, 2019
6JLP
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BU of 6jlp by Molmil
XFEL structure of cyanobacterial photosystem II (3F state, dataset2)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Shen, J.R.
Deposit date:2019-03-06
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
6JLN
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BU of 6jln by Molmil
XFEL structure of cyanobacterial photosystem II (1F state, dataset2)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Shen, J.R.
Deposit date:2019-03-06
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
6JLJ
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BU of 6jlj by Molmil
XFEL structure of cyanobacterial photosystem II (dark state, dataset1)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Shen, J.R.
Deposit date:2019-03-06
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
3ABM
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BU of 3abm by Molmil
Bovine heart cytochrome c oxidase at the fully oxidized state (200-s X-ray exposure dataset)
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Aoyama, H, Muramoto, K, Shinzawa-Itoh, K, Yamashita, E, Tsukihara, T, Ogura, T, Yoshikawa, S.
Deposit date:2009-12-16
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A peroxide bridge between Fe and Cu ions in the O2 reduction site of fully oxidized cytochrome c oxidase could suppress the proton pump
Proc.Natl.Acad.Sci.USA, 106, 2009
6JLM
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BU of 6jlm by Molmil
XFEL structure of cyanobacterial photosystem II (dark state, dataset2)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Shen, J.R.
Deposit date:2019-03-06
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
3ABL
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BU of 3abl by Molmil
Bovine heart cytochrome c oxidase at the fully oxidized state (15-s X-ray exposure dataset)
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Aoyama, H, Muramoto, K, Shinzawa-Itoh, K, Yamashita, E, Tsukihara, T, Ogura, T, Yoshikawa, S.
Deposit date:2009-12-16
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A peroxide bridge between Fe and Cu ions in the O2 reduction site of fully oxidized cytochrome c oxidase could suppress the proton pump
Proc.Natl.Acad.Sci.USA, 106, 2009
6JLK
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BU of 6jlk by Molmil
XFEL structure of cyanobacterial photosystem II (1F state, dataset1)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Shen, J.R.
Deposit date:2019-03-06
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019
6JLO
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BU of 6jlo by Molmil
XFEL structure of cyanobacterial photosystem II (2F state, dataset2)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Shen, J.R.
Deposit date:2019-03-06
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser.
Science, 366, 2019

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